5-(6-aminopurin-9-yl)-3-(2-azanylpropanoylamino)-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-3-(2-azanylpropanoylamino)-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-(2-aminopropanoylamino)-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[(2-amino-1-oxopropyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-(2-aminopropanoylamino)-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-(alanylamino)-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C13H17N7O5 MolecularWeight: 351.31798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3N)O)N

Isomeric SMILES

CC(C(=O)NC1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3N)O)N

InChI

InChI=1S/C13H17N7O5/c1-4(14)11(22)19-5-7(21)12(25-8(5)13(23)24)20-3-18-6-9(15)16-2-17-10(6)20/h2-5,7-8,12,21H,14H2,1H3,(H,19,22)(H,23,24)(H2,15,16,17)